5-azanyl-2-(4-azanyl-2-carboxy-phenyl)sulfanyl-benzoic acid dihydrochloride

Systemtic Name: 5-azanyl-2-(4-azanyl-2-carboxy-phenyl)sulfanyl-benzoic acid dihydrochloride Openeye Name: 5-amino-2-(4-amino-2-carboxy-phenyl)sulfanyl-benzoic acid dihydrochloride CAS Name: 5-amino-2-[(4-amino-2-carboxyphenyl)thio]benzoic acid dihydrochloride IUPAC Name: 5-amino-2-(4-amino-2-carboxyphenyl)sulfanylbenzoic acid dihydrochloride Traditional Name: 5-amino-2-[(4-amino-2-carboxy-phenyl)thio]benzoic acid dihydrochloride Formula: C14H14Cl2N2O4S MolecularWeight: 377.24296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C(=O)O)SC2=C(C=C(C=C2)N)C(=O)O.Cl.Cl

Isomeric SMILES

C1=CC(=C(C=C1N)C(=O)O)SC2=C(C=C(C=C2)N)C(=O)O.Cl.Cl

InChI

InChI=1S/C14H12N2O4S.2ClH/c15-7-1-3-11(9(5-7)13(17)18)21-12-4-2-8(16)6-10(12)14(19)20;;/h1-6H,15-16H2,(H,17,18)(H,19,20);2*1H